2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenyl-propionic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H20N4O4/c25-18(21-17(20(27)28)13-14-7-2-1-3-8-14)11-6-12-24-19(26)15-9-4-5-10-16(15)22-23-24/h1-5,7-10,17H,6,11-13H2,(H,21,25)(H,27,28)